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Dehydrochlorination of PCDDs on SWCN-Supported Ni10 and Ni13 Clusters, a DFT Study

Molecules (Basel, Switzerland), 2022-08, Vol.27 (16), p.5074

2022

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Exploring the Non-Covalent Bonding in Water Clusters

International journal of molecular sciences, 2023-03, Vol.24 (6), p.5271

2023

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A Theoretical Study of the C–X Bond Cleavage Mediated by Cob(II)Aloxime

Molecules (Basel, Switzerland), 2022-10, Vol.27 (21), p.7283

2022

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The closed-edge structure of graphite and the effect of electrostatic charging

RSC advances, 2020-02, Vol.1 (13), p.7994-81

2020

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KLD: a program to elucidate the localization of the Fermi and Coulomb holes in molecular systems

Journal of molecular modeling, 2024-08, Vol.30 (8), p.289, Article 289

2024

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A valence bond perspective of the reaction force formalism

Theoretical chemistry accounts, 2020, Vol.139 (1), Article 13

2020

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Comparative study of the nucleophilic attack step in the proteases catalytic activity: A theoretical study

Molecular physics, 2020-07, Vol.118 (14), p.e1705412

2020

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Stability of “No-Pair Ferromagnetic” Lithium Clusters

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-11, Vol.123 (45), p.9721-9728

2019

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Unveiling the structure‐reactivity relationship involved in the reaction mechanism of the HCl‐catalyzed alkyl t‐butyl ethers thermal decomposition. A computational study

International journal of quantum chemistry, 2022-07, Vol.122 (14), p.n/a

2022

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Theoretical Description of R–X⋯NH3 Halogen Bond Complexes: Effect of the R Group on the Complex Stability and Sigma-Hole Electron Depletion

Molecules (Basel, Switzerland), 2020-01, Vol.25 (3), p.530

2020

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Generalized Molecular Descriptors Derived From Event-Based Discrete Derivative

Current pharmaceutical design, 2016-01, Vol.22 (33), p.5095

2016

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When global and local molecular descriptors are more than the sum of its parts: Simple, But Not Simpler?

Molecular diversity, 2020-11, Vol.24 (4), p.913-932

2020

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Complex Networks Analyses of Antibiofilm Peptides: An Emerging Tool for Next-Generation Antimicrobials' Discovery

Antibiotics (Basel), 2023-04, Vol.12 (4), p.747

2023

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Higher-Order and Mixed Discrete Derivatives such as a Novel Graph- Theoretical Invariant for Generating New Molecular Descriptors

Current topics in medicinal chemistry, 2019-01, Vol.19 (11), p.944

2019

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Theoretical study of the furfuryl benzoate and furfuryl acetate pyrolysis

Journal of physical organic chemistry, 2019-01, Vol.32 (1), p.n/a

2019

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El posgrado en función de la calidad, innovación y la competitividad para la sustentabilidad institucional

RISTI : Revista Ibérica de Sistemas e Tecnologias de Informação, 2023-12 (E64), p.103-122

2023

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Theoretical investigation of the mechanism for the reductive dehalogenation of methyl halides mediated by the CoI-based compounds cobalamin and cobaloxime

Journal of molecular modeling, 2018-11, Vol.24 (11), p.1-11, Article 316

2018

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Bioremediation of polluted soils with pesticides using microorganisms - situation in Colombia

Vestnik Rossijskogo universiteta družby narodov. Seriâ Èkologiâ i bezopasnostʹ žiznedeâtelʹnosti (Online), 2023-12, Vol.31 (1), p.7-19

2023

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A Case of Primary Membranous Nephropathy (MN) After Booster Injection of the BNT162b2 COVID-19 Vaccine (Pfizer-BioNTech): TH-PO464

Journal of the American Society of Nephrology, 2022-11, Vol.33 (11S), p.176-177

2022

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Types of coproduction and differential effects on organizational performance: Evidence from the New York City school system

Public administration (London), 2017-09, Vol.95 (3), p.776-790

2017

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Oxandrolone-Induced Acute Tubular Necrosis: PO0302

Journal of the American Society of Nephrology, 2021-10, Vol.32 (10S), p.142-143

2021

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A theoretical study of the conformational preference of alkyl- and aryl-substituted pyrogallol[4]arenes and evidence of the accumulation of negative electrostatic potential within the cavity of their rccc conformers

Molecular simulation, 2014-03, Vol.40 (4), p.327-334

2014

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Dehydrochlorination of PCDDs on SWCN-Supported Ni[sub.10] and Ni[sub.13] Clusters, a DFT Study

Molecules (Basel, Switzerland), 2022-08, Vol.27 (16)

2022

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Revisiting the bonding of the pentagonal-pyramidal CH and C(CH) dications

Physical chemistry chemical physics : PCCP, 2023-12, Vol.25 (48), p.32922-3293

2023

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Estudio comparativo de dos recubrimientos comestibles a base de biopolímeros y cinamaldehído en la conservación de pepino Cucumis sativus L

Revista Colombiana de Investigaciones Agroindustriales, 2023-04, Vol.10 (1), p.52-67

2023

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Dehydrochlorination of PCDDs on SWCN-Supported Ni10 and Ni13 Clusters, a DFT Study

Exploring the Non-Covalent Bonding in Water Clusters

A Theoretical Study of the C–X Bond Cleavage Mediated by Cob(II)Aloxime

The closed-edge structure of graphite and the effect of electrostatic charging

KLD: a program to elucidate the localization of the Fermi and Coulomb holes in molecular systems

A valence bond perspective of the reaction force formalism

Comparative study of the nucleophilic attack step in the proteases catalytic activity: A theoretical study

Stability of “No-Pair Ferromagnetic” Lithium Clusters

Unveiling the structure‐reactivity relationship involved in the reaction mechanism of the HCl‐catalyzed alkyl t‐butyl ethers thermal decomposition. A computational study

Theoretical Description of R–X⋯NH3 Halogen Bond Complexes: Effect of the R Group on the Complex Stability and Sigma-Hole Electron Depletion

Generalized Molecular Descriptors Derived From Event-Based Discrete Derivative

When global and local molecular descriptors are more than the sum of its parts: Simple, But Not Simpler?

Complex Networks Analyses of Antibiofilm Peptides: An Emerging Tool for Next-Generation Antimicrobials' Discovery

Higher-Order and Mixed Discrete Derivatives such as a Novel Graph- Theoretical Invariant for Generating New Molecular Descriptors

Theoretical study of the furfuryl benzoate and furfuryl acetate pyrolysis

El posgrado en función de la calidad, innovación y la competitividad para la sustentabilidad institucional

Theoretical investigation of the mechanism for the reductive dehalogenation of methyl halides mediated by the CoI-based compounds cobalamin and cobaloxime

Bioremediation of polluted soils with pesticides using microorganisms - situation in Colombia

A Case of Primary Membranous Nephropathy (MN) After Booster Injection of the BNT162b2 COVID-19 Vaccine (Pfizer-BioNTech): TH-PO464

Types of coproduction and differential effects on organizational performance: Evidence from the New York City school system

Oxandrolone-Induced Acute Tubular Necrosis: PO0302

A theoretical study of the conformational preference of alkyl- and aryl-substituted pyrogallol[4]arenes and evidence of the accumulation of negative electrostatic potential within the cavity of their rccc conformers

Dehydrochlorination of PCDDs on SWCN-Supported Ni[sub.10] and Ni[sub.13] Clusters, a DFT Study

Revisiting the bonding of the pentagonal-pyramidal CH and C(CH) dications

Estudio comparativo de dos recubrimientos comestibles a base de biopolímeros y cinamaldehído en la conservación de pepino Cucumis sativus L

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